N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)methyl]amino}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)methyl]amino}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)methyl]amino}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 5310-5016 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)methyl]amino}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 506.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O5 S |
| Smiles: | COc1ccc(CNC(C([Cl])([Cl])[Cl])NC(CN2C(c3ccccc3S2(=O)=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5612 |
| logD: | 1.5602 |
| logSw: | -2.8752 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.319 |
| InChI Key: | JSQJESSMGVPPEO-SFHVURJKSA-N |